APS March Meeting 2020 Presentations

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APS March Meeting 2020

Session X

X43. Computational design and discovery of novel materials VII: Machine learning and high throughput computing

X43.00001: Density Functional Theory Calculations on Surface Oxygen Vacancy Formation in Metal Oxides
Sponsor Unit(s): DCOMP DMP
Yoyo Hinuma, Takashi Toyao, Takashi Kamachi, Zen Maeno, Satoru Takakusagi, Shinya Furukawa, Ichigaku Takigawa, Ken-ichi Shimizu

X43.00007: Accelerated enumeration of derivative structures using zero-suppressed binary decision diagram
Sponsor Unit(s): DCOMP DMP
Kohei Shinohara, Atsuto Seko, Takashi Horiyama, Masakazu Ishihata, Junya Honda, Isao Tanaka

X43.00009: Symbolic Regression in Materials Science
Sponsor Unit(s): DCOMP DMP
Yiqun Wang, James Rondinelli

X43.00011: Bayesian Machine Learning in Metamaterial Design: Fragile Becomes Supercompressible
Sponsor Unit(s): DCOMP DMP
Miguel Bessa, Piotr Glowacki, Michael Houlder